Snakefile

# -*- coding: utf-8 -*-
"""
@author: Laura C. Kühle

Discussion:
TODO: Contemplate saving 5-CV split and evaluating models separately
TODO: Contemplate separating cell average and reconstruction calculations
    completely
TODO: Contemplate removing Methods section from class docstring
TODO: Contemplate containing the quadrature application for plots in Mesh
TODO: Contemplate containing coarse mesh generation in Mesh
TODO: Ask whether all quadratures depend on freely chosen num_nodes
TODO: Contemplate saving training data for each IC separately
TODO: Contemplate removing TrainingDataGenerator class
TODO: Ask why no fine mesh is used for calculate_coarse_projection()
TODO: Discuss adding kwargs to attributes in documentation
TODO: Discuss descriptions (matrices, cfl number, right-hand side,
    limiting slope, basis, wavelet, etc.)
TODO: Discuss referencing info on SSPRK3
TODO: Discuss name for quadrature mesh (now: grid)
TODO: Contemplate using lambdify for basis
TODO: Contemplate allowing vector input for ICs
TODO: Discuss how wavelet details should be plotted

Urgent:
TODO: Refactor Boxplot class -> Done
TODO: Enforce periodic boundary condition for projection with decorator -> Done
TODO: Enforce Boxplot bounds with decorator
TODO: Enforce Boxplot folds with decorator
TODO: Enforce boundary for initial condition in exact solution only
TODO: Adapt number of ghost cells based on ANN stencil
TODO: Ensure exact solution is calculated in Equation class
TODO: Extract objects from UpdateScheme
TODO: Enforce num_ghost_cells to be positive integer for DG (not training)
TODO: Add Burger class
TODO: Use cfl_number for updating, not just time (equation-related?)

Critical, but not urgent:
TODO: Make sure TCs are reported as ndarray
TODO: Make sure that the cell indices are the same over all TCDs
TODO: Combine ANN workflows if feasible
TODO: Check whether all instance variables are sensible
TODO: Check whether all ValueError are set (correctly)
TODO: Introduce env files for each SM rule
TODO: Add an environment file for Snakemake
TODO: Rename files according to standard
TODO: Allow comparison between ANN training datasets
TODO: Use full path for ANN model state
TODO: Add a default model state
TODO: Look into validators for variable checks
TODO: Investigate g-mesh(?)
TODO: Enforce even number of ghost cells on each side on fine mesh (?)
TODO: Create g-mesh with Mesh class
TODO: Add images to report
TODO: Add verbose output
TODO: Add tests for all functions

Not feasible yet or doc-related:
TODO: Move plot_approximation_results() into plotting script
TODO: Move plot_results() into plotting script
TODO: Move plot_evaluation_results() into plotting script
TODO: Enforce SM conventions (no direct access to config, order in rule, etc.)
TODO: Replace pop() with get() for dictionary access
TODO: Induce shift in IC class
TODO: Force input_size for each ANN model to be stencil length
TODO: Restructure directories
TODO: Adjust definitions of each IC to be dependent on domain
TODO: Add README for ANN training
TODO: Give detailed description of wavelet detection
TODO: Adjust code to allow classes for all equations
    (Burger, linear advection, 1D Euler)
TODO: Add ThresholdDetector
TODO: Double-check everything! (also with pylint, pytype, pydoc,
    pycodestyle, pydocstyle)
TODO: Check whether documentation style is correct
TODO: Check whether all types in doc are correct
TODO: Add type annotations to function heads
TODO: Clean up docstrings
TODO: Investigate profiling for speed up

"""

configfile: 'config.yaml'

DIR = 'workflows'

module_config = {'data_dir': config['data_dir'],
                 'random_seed': config['random_seed']}

module ann_data:
    snakefile: DIR + '/ANN_data.smk'
    config: {**config['ANN_Data'], **module_config}

use rule * from ann_data as ANN_*

module ann_training:
    snakefile: DIR + '/ANN_training.smk'
    config: {**config['ANN_Training'], **module_config}

use rule * from ann_training as ANN_*

module approximation:
    snakefile: DIR + '/approximation.smk'
    config: {**config['Approximation'], **module_config}

use rule * from approximation as DG_*

rule all:
    input:
        rules.ANN_all.input,
        rules.DG_all.input
    default_target: True